SCHEMBL3532809

SCHEMBL3532809

COCCN1CCC(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
CCR5 P51681 2/20 0.48
DCUN1D1 Q96GG9 7/20 0.46
UBE2M P61081 6/20 0.46
DRD3 P35462 2/20 0.44
KCNH2 Q12809 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
OPRM1 P35372 2/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
PGR P06401 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4950673 0.86 CCR5 (0.50) DRD2CCR5DCUN1D1UBE2MDRD3
SCHEMBL3542065 0.85 KCNH2 (0.56) DRD2CCR5DCUN1D1UBE2MDRD3
SCHEMBL27488821 0.80 OPRM1 (0.46) DCUN1D1UBE2MSLC6A2SLC6A4OPRM1
SCHEMBL3539247 0.79 CCR5 (0.58) DRD2CCR5DCUN1D1UBE2MDRD3
SCHEMBL4712779 0.78 DRD2 (0.47) DRD2CCR5DCUN1D1UBE2MDRD3
SCHEMBL22733386 0.74 PLA2G7 (0.44) CCR5DCUN1D1UBE2MKCNH2
SCHEMBL27962597 0.73 BCHE (0.62) BCHEACHEBACE1
Bamipine SCHEMBL29626 0.72 KCNH2 (0.66) DRD2CCR5DRD3KCNH2SLC6A2
SCHEMBL5969537 0.72 CCR5 (0.49) DRD2CCR5DCUN1D1UBE2MKCNH2
SCHEMBL4306235 0.72 MEN1 (0.53) CCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266841-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-02-23 US disclosed
US-20150045375-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2015-02-12 US disclosed
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS HICKEY DEIDRE MARY BERNADETTE 2010-06-10 US disclosed
US-7652019-B2 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC (GB) 2010-01-26 US disclosed
US-7638520-B2 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2009-12-29 US disclosed
EP-1686119-B1 Pyrimidine-5-one derivatives as LDL-PLA2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds SMITHKLINE BEECHAM P.L.C. 2009-07-02 US disclosed
US-20090118313-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM P.L.C. 2009-05-07 US disclosed
US-7470694-B2 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM, PLC (GB) 2008-12-30 US disclosed
US-20070155762-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC 2007-07-05 US disclosed
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM PLC 2007-05-31 US disclosed
US-7153861-B2 For therapy of atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-26 US disclosed
EP-1686119-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-02 EP disclosed
EP-1263740-B1 PYRIMIDINE-4-ONE DERIVATIVE AS LDL-PLA2 INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2006-07-19 EP disclosed
EP-1263740-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SmithKline Beecham plc (GB) 2002-12-11 EP disclosed
WO-2001060805-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds PLA2G4A, PLA2G4B, PLA2G1B DRD2 4541/4885CCR5 1648/4885DCUN1D1 4698/4885
US-20090118313-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase PLAT, PLA2G7, LYPLAL1 DRD2 4554/4885CCR5 2971/4885DCUN1D1 3980/4885
US-20150045375-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B DRD2 4421/4885CCR5 1478/4885DCUN1D1 4059/4885
US-20070155762-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase PLAT, PLA2G7, LYPLAL1 DRD2 4806/4885CCR5 2440/4885DCUN1D1 4418/4885
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis PLA2G7, PLAT, PLA2G1B DRD2 4732/4885CCR5 2863/4885DCUN1D1 3215/4885
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS PLA2G4A, PLA2G4B, PLA2G1B DRD2 4541/4885CCR5 1648/4885DCUN1D1 4698/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.